H
Hema Tresa Varghese
Researcher at Fatima Mata National College
Publications - 128
Citations - 2824
Hema Tresa Varghese is an academic researcher from Fatima Mata National College. The author has contributed to research in topics: Hyperpolarizability & Raman spectroscopy. The author has an hindex of 28, co-authored 128 publications receiving 2405 citations. Previous affiliations of Hema Tresa Varghese include Mar Ivanios College.
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IR, Raman and SERS spectra of disodium terephthalate.
TL;DR: The IR and Raman spectra of disodium terephthalate indicate a flat orientation of the molecule at the metal surface and the vibrational wavenumber of the compound has been computed and compared with the experimental values.
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Molecular conformational analysis, vibrational spectra, NBO, NLO, HOMO-LUMO and molecular docking studies of ethyl 3-(E)-(anthracen-9-yl)prop-2-enoate based on density functional theory calculations.
Y. Sheena Mary,Hema Tresa Varghese,C. Yohannan Panicker,Thies Thiemann,Abdulaziz A. Al-Saadi,Saheed A. Popoola,C. Van Alsenoy,Yosef Al Jasem +7 more
TL;DR: Molecular docking studies suggest that the title compounds might exhibit inhibitory activity against IDE and may act as an insulysin inhibitor and quantum chemical parameters related to the title compound are suggested.
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Spectroscopic, DFT, molecular dynamics and molecular docking study of 1-butyl-2-(4-hydroxyphenyl)-4,5-dimethyl-imidazole 3-oxide
K.B. Benzon,Y. Sheena Mary,Hema Tresa Varghese,C. Yohannan Panicker,Stevan Armaković,Sanja J. Armaković,Kiran Pradhan,Ashis Kumar Nanda,C. Van Alsenoy +8 more
TL;DR: In this paper, the stability of 1-butyl-2-(4-hydroxyphenyl)-4,5-dimethyl-imidazole 3-oxide was analyzed using NBO analysis.
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FT-IR, HOMO-LUMO, NBO, MEP analysis and molecular docking study of 3-Methyl-4-{(E)-[4-(methylsulfanyl)-benzylidene]amino}1H-1,2,4-triazole-5(4H)-thione.
C. Yohannan Panicker,Hema Tresa Varghese,P. S. Manjula,B. K. Sarojini,Badiadka Narayana,Javeed Ahamad War,Santosh K. Srivastava,C. Van Alsenoy,Abdulaziz A. Al-Saadi +8 more
TL;DR: Molecular docking studies reveal that the triazole nitrogen atoms and the thione sulphur atom play vital role in bonding and results draw the conclusion that the compound might exhibit anti-tuberculostic activity.
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Vibrational spectroscopic studies and computational study of 4-fluoro-N-(2′-hydroxy-4′-nitrophenyl)phenylacetamide
Y. Sheena Mary,C. Yohannan Panicker,Hema Tresa Varghese,K. Raju,Tuğba Ertan Bolelli,Ilkay Yildiz,Carlos M. Granadeiro,Helena I. S. Nogueira +7 more
TL;DR: In this article, a surface-enhanced Raman scattering (SERS) spectrum was recorded in silver colloid and the vibrational wavenumbers and corresponding vibrational assignments were examined theoretically using quantum mechanical calculations.